- InChI
- InChI=1S/C16H26/c1-5-9-13(4)15-10-8-11-16(12-15)14(6-2)7-3/h8,10-14H,5-7,9H2,1-4H3
- InChI Key
- LJXJIICRXIAWQR-UHFFFAOYSA-N
- Formula
- C16H26
- SMILES
- CCCC(C)c1cccc(C(CC)CC)c1
- Molecular Weight1
- 218.38
- CAS
- 100945-39-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5221 | Relay (... Calculated Property | |
| ΔfG° | 181.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.22 | eV | Relay (... Calculated Property |
| log10WS | -6.03 | Relay (... Calculated Property | |
| logPoct/wat | 5.494 | Crippen Calculated Property | |
| McVol | 212.540 | ml/mol | McGowan Calculated Property |
| Pc | 1704.71 | kPa | Joback Calculated Property |
| Tboil | 544.40 | K | Relay (... Calculated Property |
| Tc | 743.19 | K | Relay (... Calculated Property |
| Tfus | 235.67 | K | Relay (... Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.90; 649.07] | J/mol×K | [596.26; 793.83] | 
|
| Cp,gas | 545.90 | J/mol×K | 596.26 | Joback Calculated Property |
| Cp,gas | 565.57 | J/mol×K | 629.19 | Joback Calculated Property |
| Cp,gas | 584.20 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 601.82 | J/mol×K | 695.05 | Joback Calculated Property |
| Cp,gas | 618.49 | J/mol×K | 727.97 | Joback Calculated Property |
| Cp,gas | 634.22 | J/mol×K | 760.90 | Joback Calculated Property |
| Cp,gas | 649.07 | J/mol×K | 793.83 | Joback Calculated Property |
| η | [0.0001293; 0.0046147] | Pa×s | [279.02; 596.26] |
|
| η | 0.0046147 | Pa×s | 279.02 | Joback Calculated Property |
| η | 0.0015822 | Pa×s | 331.89 | Joback Calculated Property |
| η | 0.0007280 | Pa×s | 384.77 | Joback Calculated Property |
| η | 0.0004041 | Pa×s | 437.64 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 490.51 | Joback Calculated Property |
| η | 0.0001756 | Pa×s | 543.39 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 596.26 | Joback Calculated Property |
Similar Compounds
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Sources
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